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Chemical ID: 4078567

Chemical ID:

4078567

Name [?]:

2-fluoro-N-(2-phenoxyethyl)benzenesulfonamide

SMILES [?]:

c1ccc(cc1)OCCNS(=O)(=O)c2ccccc2F

InChi [?]:

InChI=1/C14H14FNO3S/c15-13-8-4-5-9-14(13)20(17,18)16-10-11-19-12-6-2-1-3-7-12/h1-9,16H,10-11H2

InChi Info:

AuxInfo=1/0/N:1,2,6,17,16,3,5,18,15,9,8,4,19,14,20,10,12,13,7,11/E:(2,3)(6,7)(17,18)/CRV:20.6/rA:20nCCCCCCOCCNSOOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄FNO₃S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.06511
Area:	469.963
Solvation:	-3.68395
Coulombic:	-25.2089

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	295.33
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.76
LogP (Chemaxon):	2.68

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value